CID 112676

63467-23-2

Structural Information

Molecular Formula
C19H21Br2N5O5
SMILES
CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)NC(=O)C
InChI
InChI=1S/C19H21Br2N5O5/c1-3-25(9-14(29)10-27)12-4-5-17(18(8-12)22-11(2)28)23-24-19-15(20)6-13(26(30)31)7-16(19)21/h4-8,14,27,29H,3,9-10H2,1-2H3,(H,22,28)
InChIKey
ITTWJNZGMUYBLD-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.99097 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.99825 204.1
[M+Na]+ 579.98019 196.5
[M+NH4]+ 575.02479 203.2
[M+K]+ 595.95413 204.4
[M-H]- 555.98369 206.2
[M+Na-2H]- 577.96564 202.7
[M]+ 556.99042 202.3
[M]- 556.99152 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.